1-[3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanone;cis-(1S,2S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

C115H107N31O7 — CID 161143137

About 1-[3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanone;cis-(1S,2S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

1-[3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanone;cis-(1S,2S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 161143137) has the molecular formula C115H107N31O7 and a molecular weight of 2035.33 g/mol. Its IUPAC name is 1-[3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanone;cis-(1S,2S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 1-[3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanone;cis-(1S,2S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
• PubChem CID: 161143137
• Molecular Formula: C115H107N31O7
• Molecular Weight: 2035.33 g/mol
• Exact Mass: 2033.90
• IUPAC Name: 1-[3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanone;cis-(1S,2S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
• SMILES: C=C1Nc2cc(C)c(-c3cc4cc(NC(=O)[C@@H]5C[C@H]5C#N)ncc4c(N)n3)cc2C1O.C=C1Nc2cc(C)c(-c3cc4cc(NC(=O)[C@H]5C[C@@H]5C#N)ncc4c(N)n3)cc2C1O.CC(=O)N1CC(n2cc(Nc3cc4cc(-c5ccccc5C)nc(N)c4cn3)cn2)C1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)ncc2c(N)n1
• InChI: InChI=1S/C23H23N7O.2C23H20N6O2.2C23H22N6O/c1-14-5-3-4-6-19(14)21-7-16-8-22(25-10-20(16)23(24)28-21)27-17-9-26-30(11-17)18-12-29(13-18)15(2)31;2*1-10-3-18-16(21(30)11(2)27-18)7-14(10)19-5-12-6-20(26-9-17(12)22(25)28-19)29-23(31)15-4-13(15)8-24;2*1-13-5-3-4-6-16(13)20-7-14-8-21(25-11-19(14)22(24)27-20)28-23(30)18-9-17(18)15-10-26-29(2)12-15/h3-11,18H,12-13H2,1-2H3,(H2,24,28)(H,25,27);2*3,5-7,9,13,15,21,27,30H,2,4H2,1H3,(H2,25,28)(H,26,29,31);2*3-8,10-12,17-18H,9H2,1-2H3,(H2,24,27)(H,25,28,30)/t;2*13-,15+,21?;2*17-,18+/m.1010/s1
• InChIKey: UNSBOMFOANTJIX-KALWWJSXSA-N
• XLogP: 17.37
• TPSA: 573.30 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 33
• Rotatable Bonds: 18
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2035.33
LogP ≤ 5	17.37
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanone;cis-(1S,2S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?

The IUPAC name of 1-[3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanone;cis-(1S,2S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 161143137) is 1-[3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanone;cis-(1S,2S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

What is the SMILES notation for 1-[3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanone;cis-(1S,2S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?

The canonical SMILES for 1-[3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanone;cis-(1S,2S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is C=C1Nc2cc(C)c(-c3cc4cc(NC(=O)[C@@H]5C[C@H]5C#N)ncc4c(N)n3)cc2C1O.C=C1Nc2cc(C)c(-c3cc4cc(NC(=O)[C@H]5C[C@@H]5C#N)ncc4c(N)n3)cc2C1O.CC(=O)N1CC(n2cc(Nc3cc4cc(-c5ccccc5C)nc(N)c4cn3)cn2)C1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)ncc2c(N)n1.

What is the InChIKey of 1-[3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanone;cis-(1S,2S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?

The InChIKey is UNSBOMFOANTJIX-KALWWJSXSA-N. The full InChI is InChI=1S/C23H23N7O.2C23H20N6O2.2C23H22N6O/c1-14-5-3-4-6-19(14)21-7-16-8-22(25-10-20(16)23(24)28-21)27-17-9-26-30(11-17)18-12-29(13-18)15(2)31;2*1-10-3-18-16(21(30)11(2)27-18)7-14(10)19-5-12-6-20(26-9-17(12)22(25)28-19)29-23(31)15-4-13(15)8-24;2*1-13-5-3-4-6-16(13)20-7-14-8-21(25-11-19(14)22(24)27-20)28-23(30)18-9-17(18)15-10-26-29(2)12-15/h3-11,18H,12-13H2,1-2H3,(H2,24,28)(H,25,27);2*3,5-7,9,13,15,21,27,30H,2,4H2,1H3,(H2,25,28)(H,26,29,31);2*3-8,10-12,17-18H,9H2,1-2H3,(H2,24,27)(H,25,28,30)/t;2*13-,15+,21?;2*17-,18+/m.1010/s1.

What are the key properties of 1-[3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanone;cis-(1S,2S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?

1-[3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanone;cis-(1S,2S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 2035.33 g/mol, XLogP of 17.37, 18 rotatable bonds, 14 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanone;cis-(1S,2S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 161143137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).